SCHEMBL4435223

SCHEMBL4435223

Cc1cc(C(N)=NO)cc(N(C)C(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.33
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1424746 0.76 TPMT (0.38) HRH4KMT2ALMNATSHRMEN1
SCHEMBL18360196 0.74 HDAC4 (0.36) HRH4LMNATSHR
SCHEMBL1179729 0.73 HRH4 (0.33) HRH4KMT2AMEN1
SCHEMBL3280184 0.73 HRH4 (0.31) HRH4TSHR
SCHEMBL12250747 0.71 NOS3 (0.40) HRH4KMT2ATSHRMEN1
SCHEMBL18360198 0.71 CA12 (0.45) KMT2ALMNATSHRMEN1
SCHEMBL12852890 0.70 LMNA (0.37) KMT2ALMNAGFERL3MBTL1
SCHEMBL22637833 0.68 RECQL (0.42) KMT2ALMNAGFERL3MBTL1TSHR
SCHEMBL22637830 0.68 RECQL (0.42) KMT2ALMNAGFERL3MBTL1TSHR
SCHEMBL9582046 0.65 HTT (0.42) KMT2ALMNAGFERL3MBTL1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO disclosed